1-Phenylethane-1,2-diamine
TL;DR: 1-Phenylethane-1,2-diamine (CAS 62779-70-8) is a chemical compound with molecular formula C8H12N2 and molecular weight 136.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylethane-1,2-diamine
Also Known As: 1-phenylethane-1,2-diamine, Pelanserin, 1-Phenyl-ethane-1,2-diamine, 1-Phenylathylendiamin, Elagolix Impurity 29
| Molecular Formula | C8H12N2 |
|---|---|
| Molecular Weight | 136.10 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 136.10005 |
| Heavy Atoms | 10 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 62779-70-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CN)N |
| InChIKey | CRVBQABBEKLFIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenylethane-1,2-diamine (CAS 62779-70-8), with molecular formula C8H12N2 and molecular weight 136.10 g/mol. IUPAC: 1-phenylethane-1,2-diamine.
Chemical Property Profile of 1-Phenylethane-1,2-diamine
Property Insights of 1-Phenylethane-1,2-diamine
The XLogP value of -0.1 indicates that 1-Phenylethane-1,2-diamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.0 Ų, 1-Phenylethane-1,2-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenylethane-1,2-diamine has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Phenylethane-1,2-diamine?
The CAS number of 1-Phenylethane-1,2-diamine is 62779-70-8.
What is the molecular formula of 1-Phenylethane-1,2-diamine?
The molecular formula of 1-Phenylethane-1,2-diamine is C8H12N2.
What is the molecular weight of 1-Phenylethane-1,2-diamine?
The molecular weight of 1-Phenylethane-1,2-diamine is 136.10 g/mol.
Where can I buy 1-Phenylethane-1,2-diamine?
You can request a quote for 1-Phenylethane-1,2-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenylethane-1,2-diamine?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenylethane-1,2-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.